============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 13 0.840 -6.429 -2.805 -0.532 -99.200 -91.000 PHE 22 1.000 0.301 -1.242 5.211 -99.200 -91.000 HIS 24 0.900 -9.705 1.858 3.620 -99.200 -91.000 HIS 25 0.900 -5.233 1.765 -2.197 -99.200 -91.000 HIS 31 0.900 4.274 1.149 5.431 -99.200 -91.000 HIS 35 0.900 8.837 1.294 3.201 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2enhA17 GLY 1 HA2 0.00 -0.05 0.18 -0.51 4.01 3.63 2enhA17 GLY 1 HA3 0.00 -0.04 0.12 -0.51 4.01 3.59 2enhA17 SER 2 H 0.00 0.15 0.04 -0.55 8.46 8.11 2enhA17 SER 2 HA 0.01 0.18 0.86 -0.75 4.49 4.79 2enhA17 SER 2 HB2 0.01 0.05 -0.15 -0.04 3.95 3.81 2enhA17 SER 2 HB3 0.01 -0.04 0.11 -0.04 3.93 3.96 2enhA17 SER 3 H 0.01 0.31 0.11 -0.55 8.46 8.33 2enhA17 SER 3 HA 0.00 0.16 0.88 -0.75 4.49 4.79 2enhA17 SER 3 HB2 0.00 -0.01 -0.02 -0.04 3.95 3.88 2enhA17 SER 3 HB3 0.00 0.07 -0.12 -0.04 3.93 3.84 2enhA17 GLY 4 H 0.01 0.20 0.04 -0.55 8.43 8.13 2enhA17 GLY 4 HA2 0.01 0.16 0.56 -0.51 4.01 4.24 2enhA17 GLY 4 HA3 0.01 0.04 0.35 -0.51 4.01 3.90 2enhA17 SER 5 H 0.01 0.32 -0.45 -0.55 8.46 7.79 2enhA17 SER 5 HA 0.00 0.22 0.91 -0.75 4.49 4.88 2enhA17 SER 5 HB2 0.00 -0.02 -0.10 -0.04 3.95 3.79 2enhA17 SER 5 HB3 0.00 -0.02 0.03 -0.04 3.93 3.91 2enhA17 SER 6 H 0.00 0.20 0.14 -0.55 8.46 8.25 2enhA17 SER 6 HA 0.00 0.15 0.68 -0.75 4.49 4.58 2enhA17 SER 6 HB2 0.00 -0.01 -0.04 -0.04 3.95 3.86 2enhA17 SER 6 HB3 0.00 -0.03 0.04 -0.04 3.93 3.91 2enhA17 GLY 7 H 0.00 0.14 0.12 -0.55 8.43 8.15 2enhA17 GLY 7 HA2 0.00 -0.01 0.33 -0.51 4.01 3.82 2enhA17 GLY 7 HA3 0.00 0.11 0.45 -0.51 4.01 4.06 2enhA17 THR 8 H 0.01 0.13 -0.17 -0.55 8.28 7.70 2enhA17 THR 8 HA 0.02 0.10 0.68 -0.75 4.39 4.44 2enhA17 THR 8 HB 0.01 -0.03 -0.15 -0.04 4.32 4.11 2enhA17 THR 8 HG23 0.02 -0.00 -0.14 -0.04 1.22 1.06 2enhA17 GLY 9 H 0.03 0.16 0.09 -0.55 8.43 8.17 2enhA17 GLY 9 HA2 0.06 0.04 0.36 -0.51 4.01 3.96 2enhA17 GLY 9 HA3 0.05 0.03 0.36 -0.51 4.01 3.94 2enhA17 GLU 10 H 0.04 -0.06 -0.27 -0.55 8.60 7.76 2enhA17 GLU 10 HA 0.03 0.13 0.35 -0.75 4.29 4.04 2enhA17 GLU 10 HB2 0.01 -0.07 0.01 -0.04 2.09 1.99 2enhA17 GLU 10 HB3 0.00 0.01 -0.02 -0.04 1.99 1.94 2enhA17 GLU 10 HG2 -0.02 0.01 -0.08 -0.04 2.34 2.21 2enhA17 GLU 10 HG3 0.00 0.03 0.07 -0.04 2.34 2.40 2enhA17 LYS 11 H 0.02 0.09 0.03 -0.55 8.42 8.02 2enhA17 LYS 11 HA 0.15 0.31 0.85 -0.75 4.32 4.88 2enhA17 LYS 11 HB2 0.07 -0.00 0.14 -0.04 1.87 2.03 2enhA17 LYS 11 HB3 0.06 0.05 -0.05 -0.04 1.79 1.80 2enhA17 LYS 11 HG2 0.02 -0.01 0.05 -0.04 1.46 1.48 2enhA17 LYS 11 HG3 0.02 -0.00 0.04 -0.04 1.46 1.47 2enhA17 LYS 11 HD2 0.01 0.01 -0.00 -0.04 1.69 1.66 2enhA17 LYS 11 HD3 0.01 -0.01 -0.00 -0.04 1.68 1.63 2enhA17 LYS 11 HE2 -0.01 -0.00 -0.01 -0.04 2.99 2.93 2enhA17 LYS 11 HE3 0.01 0.03 -0.03 -0.04 2.99 2.96 2enhA17 PRO 12 HA -0.11 0.08 0.34 -0.51 4.44 4.24 2enhA17 PRO 12 HB2 -0.41 0.03 0.04 -0.04 2.28 1.89 2enhA17 PRO 12 HB3 -0.17 -0.01 0.05 -0.04 2.02 1.85 2enhA17 PRO 12 HG2 -0.94 0.05 -0.12 -0.04 2.03 0.99 2enhA17 PRO 12 HG3 -0.20 -0.01 -0.06 -0.04 2.03 1.72 2enhA17 PRO 12 HD2 0.08 0.46 -0.32 -0.04 3.68 3.85 2enhA17 PRO 12 HD3 -0.03 -0.13 -0.49 -0.04 3.65 2.95 2enhA17 TYR 13 H 0.10 0.07 -0.91 -0.55 8.29 7.00 2enhA17 TYR 13 HA 0.06 0.14 0.89 -0.75 4.56 4.90 2enhA17 TYR 13 HB2 0.11 0.17 0.08 -0.04 3.06 3.38 2enhA17 TYR 13 HB3 0.03 -0.06 -0.02 -0.04 2.98 2.89 2enhA17 TYR 13 HD2 0.13 0.11 -0.07 -0.04 7.15 7.28 2enhA17 TYR 13 HE2 0.07 0.05 -0.03 -0.04 6.85 6.90 2enhA17 GLU 14 H 0.12 0.23 0.12 -0.55 8.60 8.53 2enhA17 GLU 14 HA 0.21 0.40 1.02 -0.75 4.29 5.17 2enhA17 GLU 14 HB2 0.07 0.04 -0.16 -0.04 2.09 2.00 2enhA17 GLU 14 HB3 0.06 -0.05 -0.04 -0.04 1.99 1.92 2enhA17 GLU 14 HG2 0.09 -0.04 -0.11 -0.04 2.34 2.24 2enhA17 GLU 14 HG3 0.07 0.19 -0.12 -0.04 2.34 2.43 2enhA17 CYS 15 H 0.22 0.42 0.19 -0.55 8.50 8.78 2enhA17 CYS 15 HA 0.12 0.17 0.66 -0.75 4.58 4.78 2enhA17 CYS 15 HB2 0.40 0.15 0.06 -0.04 2.97 3.54 2enhA17 CYS 15 HB3 0.25 -0.33 0.22 -0.04 2.97 3.07 2enhA17 ASP 16 H 0.06 0.24 0.17 -0.55 8.40 8.33 2enhA17 ASP 16 HA 0.03 0.19 0.58 -0.75 4.63 4.67 2enhA17 ASP 16 HB2 0.02 -0.01 0.13 -0.04 2.71 2.82 2enhA17 ASP 16 HB3 0.01 0.05 0.20 -0.04 2.70 2.92 2enhA17 VAL 17 H 0.03 -0.23 -0.67 -0.55 8.24 6.83 2enhA17 VAL 17 HA -0.11 0.29 0.91 -0.75 4.13 4.47 2enhA17 VAL 17 HB -0.47 -0.10 0.01 -0.04 2.12 1.52 2enhA17 VAL 17 HG13 -0.80 0.03 -0.08 -0.04 0.97 0.08 2enhA17 VAL 17 HG23 -0.08 -0.00 -0.22 -0.04 0.95 0.60 2enhA17 CYS 18 H 0.07 -0.16 0.05 -0.55 8.50 7.91 2enhA17 CYS 18 HA 0.02 0.31 0.86 -0.75 4.58 5.02 2enhA17 CYS 18 HB2 0.14 0.07 0.06 -0.04 2.97 3.20 2enhA17 CYS 18 HB3 0.22 0.06 -0.07 -0.04 2.97 3.13 2enhA17 ARG 19 H 0.07 -0.06 0.02 -0.55 8.46 7.93 2enhA17 ARG 19 HA 0.06 0.24 0.42 -0.75 4.34 4.31 2enhA17 ARG 19 HB2 0.02 0.22 -0.17 -0.04 1.90 1.93 2enhA17 ARG 19 HB3 0.02 -0.03 0.22 -0.04 1.80 1.98 2enhA17 ARG 19 HG2 0.01 -0.02 -0.06 -0.04 1.67 1.57 2enhA17 ARG 19 HG3 0.03 0.04 -0.01 -0.04 1.67 1.69 2enhA17 ARG 19 HD2 0.01 0.02 -0.23 -0.04 3.22 2.98 2enhA17 ARG 19 HD3 0.01 -0.20 -0.64 -0.04 3.22 2.36 2enhA17 LYS 20 H 0.14 -0.15 0.03 -0.55 8.42 7.89 2enhA17 LYS 20 HA -0.05 0.27 0.75 -0.75 4.32 4.53 2enhA17 LYS 20 HB2 0.10 -0.13 0.02 -0.04 1.87 1.81 2enhA17 LYS 20 HB3 -0.47 0.06 0.04 -0.04 1.79 1.38 2enhA17 LYS 20 HG2 -0.11 0.06 0.02 -0.04 1.46 1.39 2enhA17 LYS 20 HG3 0.02 0.03 -0.17 -0.04 1.46 1.31 2enhA17 LYS 20 HD2 -0.04 -0.04 -0.04 -0.04 1.69 1.53 2enhA17 LYS 20 HD3 -0.36 0.01 -0.01 -0.04 1.68 1.29 2enhA17 LYS 20 HE2 -0.09 0.02 0.01 -0.04 2.99 2.89 2enhA17 LYS 20 HE3 0.02 0.03 -0.02 -0.04 2.99 2.97 2enhA17 ALA 21 H -0.31 0.19 0.18 -0.55 8.40 7.92 2enhA17 ALA 21 HA 0.08 0.37 1.06 -0.75 4.34 5.10 2enhA17 ALA 21 HB3 -0.04 0.02 0.01 -0.04 1.41 1.36 2enhA17 PHE 22 H 0.29 0.57 0.14 -0.55 8.34 8.79 2enhA17 PHE 22 HA -0.00 0.11 0.93 -0.75 4.62 4.89 2enhA17 PHE 22 HB2 -0.01 0.06 0.03 -0.04 3.15 3.19 2enhA17 PHE 22 HB3 -0.03 -0.11 -0.08 -0.04 3.06 2.80 2enhA17 PHE 22 HD2 -0.03 0.03 -0.27 -0.04 7.28 6.97 2enhA17 PHE 22 HE2 -0.17 -0.05 -0.13 -0.04 7.38 6.99 2enhA17 PHE 22 HZ -1.47 -0.01 -0.08 -0.04 7.32 5.72 2enhA17 SER 23 H 0.07 0.16 0.09 -0.55 8.46 8.23 2enhA17 SER 23 HA 0.12 0.15 0.34 -0.75 4.49 4.35 2enhA17 SER 23 HB2 0.09 0.04 0.02 -0.04 3.95 4.06 2enhA17 SER 23 HB3 0.06 0.05 0.13 -0.04 3.93 4.12 2enhA17 HIS 24 H 0.15 -0.02 -0.20 -0.55 8.41 7.80 2enhA17 HIS 24 HA -0.11 0.25 0.81 -0.75 4.63 4.83 2enhA17 HIS 24 HB2 -0.01 0.07 0.03 -0.04 3.26 3.32 2enhA17 HIS 24 HB3 -0.05 -0.19 -0.05 -0.04 3.20 2.87 2enhA17 HIS 24 HD2 0.00 0.08 0.01 -0.04 6.97 7.03 2enhA17 HIS 24 HE1 -0.01 0.06 0.06 -0.04 7.75 7.81 2enhA17 HIS 25 H -0.87 0.16 0.16 -0.55 8.41 7.31 2enhA17 HIS 25 HA -0.86 0.22 0.54 -0.75 4.63 3.78 2enhA17 HIS 25 HB2 -0.92 0.11 0.09 -0.04 3.26 2.50 2enhA17 HIS 25 HB3 -0.40 -0.05 0.17 -0.04 3.20 2.88 2enhA17 HIS 25 HD2 -0.06 -0.02 -0.20 -0.04 6.97 6.65 2enhA17 HIS 25 HE1 0.07 0.05 -0.01 -0.04 7.75 7.82 2enhA17 ALA 26 H 0.21 0.14 0.06 -0.55 8.40 8.26 2enhA17 ALA 26 HA 0.02 0.10 0.34 -0.75 4.34 4.05 2enhA17 ALA 26 HB3 0.12 0.04 0.03 -0.04 1.41 1.57 2enhA17 SER 27 H 0.05 0.03 -0.58 -0.55 8.46 7.41 2enhA17 SER 27 HA 0.00 0.08 0.30 -0.75 4.49 4.12 2enhA17 SER 27 HB2 0.14 0.16 -0.09 -0.04 3.95 4.11 2enhA17 SER 27 HB3 0.29 0.05 -0.00 -0.04 3.93 4.23 2enhA17 LEU 28 H -0.32 0.46 -0.53 -0.55 8.37 7.44 2enhA17 LEU 28 HA -1.28 0.07 0.60 -0.75 4.35 2.99 2enhA17 LEU 28 HB2 -0.50 0.03 -0.03 -0.04 1.64 1.10 2enhA17 LEU 28 HB3 -0.47 0.15 0.17 -0.04 1.64 1.46 2enhA17 LEU 28 HG -0.26 -0.01 -0.34 -0.04 1.64 0.99 2enhA17 LEU 28 HD13 -0.36 -0.03 -0.26 -0.04 0.93 0.25 2enhA17 LEU 28 HD23 -0.03 0.03 -0.13 -0.04 0.89 0.72 2enhA17 THR 29 H -0.40 0.46 0.08 -0.55 8.28 7.86 2enhA17 THR 29 HA -0.16 0.04 0.32 -0.75 4.39 3.83 2enhA17 THR 29 HB -0.24 -0.03 0.06 -0.04 4.32 4.06 2enhA17 THR 29 HG23 -0.04 0.03 -0.07 -0.04 1.22 1.11 2enhA17 GLN 30 H -0.15 0.27 -0.70 -0.55 8.47 7.34 2enhA17 GLN 30 HA -0.06 0.14 0.63 -0.75 4.36 4.31 2enhA17 GLN 30 HB2 -0.05 0.09 0.05 -0.04 2.15 2.21 2enhA17 GLN 30 HB3 -0.03 -0.01 -0.08 -0.04 2.02 1.87 2enhA17 GLN 30 HG2 -0.03 0.02 -0.02 -0.04 2.40 2.33 2enhA17 GLN 30 HG3 -0.03 -0.02 -0.07 -0.04 2.39 2.23 2enhA17 GLN 30 HE21 -0.01 -0.02 -0.15 -0.04 6.97 6.75 2enhA17 GLN 30 HE22 -0.01 -0.02 -0.08 -0.04 7.69 7.54 2enhA17 HIS 31 H -0.09 0.32 -0.08 -0.55 8.41 8.01 2enhA17 HIS 31 HA -0.07 0.01 0.39 -0.75 4.63 4.22 2enhA17 HIS 31 HB2 0.08 0.01 0.17 -0.04 3.26 3.49 2enhA17 HIS 31 HB3 -0.53 0.08 0.30 -0.04 3.20 3.00 2enhA17 HIS 31 HD2 -0.06 -0.03 -0.11 -0.04 6.97 6.73 2enhA17 HIS 31 HE1 0.05 0.03 -0.06 -0.04 7.75 7.73 2enhA17 GLN 32 H -0.14 0.58 -0.29 -0.55 8.47 8.08 2enhA17 GLN 32 HA -0.15 -0.09 0.26 -0.75 4.36 3.62 2enhA17 GLN 32 HB2 -0.08 0.18 -0.09 -0.04 2.15 2.12 2enhA17 GLN 32 HB3 -0.03 0.01 -0.02 -0.04 2.02 1.94 2enhA17 GLN 32 HG2 0.04 -0.15 0.01 -0.04 2.40 2.26 2enhA17 GLN 32 HG3 -0.09 0.15 -0.10 -0.04 2.39 2.32 2enhA17 GLN 32 HE21 0.02 -0.12 -0.01 -0.04 6.97 6.82 2enhA17 GLN 32 HE22 0.01 0.02 -0.01 -0.04 7.69 7.67 2enhA17 ARG 33 H -0.17 0.48 -0.88 -0.55 8.46 7.34 2enhA17 ARG 33 HA -0.09 0.02 0.34 -0.75 4.34 3.86 2enhA17 ARG 33 HB2 -0.10 0.09 0.15 -0.04 1.90 1.99 2enhA17 ARG 33 HB3 -0.08 -0.06 -0.03 -0.04 1.80 1.59 2enhA17 ARG 33 HG2 -0.05 -0.06 0.05 -0.04 1.67 1.57 2enhA17 ARG 33 HG3 -0.07 0.08 0.11 -0.04 1.67 1.75 2enhA17 ARG 33 HD2 -0.04 -0.05 0.01 -0.04 3.22 3.10 2enhA17 ARG 33 HD3 -0.04 -0.07 0.04 -0.04 3.22 3.12 2enhA17 VAL 34 H -0.32 0.51 0.04 -0.55 8.24 7.92 2enhA17 VAL 34 HA -0.15 -0.02 0.32 -0.75 4.13 3.52 2enhA17 VAL 34 HB -0.21 -0.05 0.07 -0.04 2.12 1.89 2enhA17 VAL 34 HG13 -0.14 0.03 0.12 -0.04 0.97 0.94 2enhA17 VAL 34 HG23 -1.15 0.03 -0.18 -0.04 0.95 -0.40 2enhA17 HIS 35 H -0.38 0.34 -0.84 -0.55 8.41 6.99 2enhA17 HIS 35 HA -0.04 0.04 0.77 -0.75 4.63 4.64 2enhA17 HIS 35 HB2 -0.07 0.12 0.17 -0.04 3.26 3.43 2enhA17 HIS 35 HB3 -0.03 -0.04 -0.03 -0.04 3.20 3.05 2enhA17 HIS 35 HD2 -0.09 -0.05 -0.03 -0.04 6.97 6.76 2enhA17 HIS 35 HE1 0.10 0.02 -0.13 -0.04 7.75 7.69 2enhA17 SER 36 H 0.05 0.16 0.17 -0.55 8.46 8.29 2enhA17 SER 36 HA 0.01 0.10 0.82 -0.75 4.49 4.66 2enhA17 SER 36 HB2 0.00 0.06 0.07 -0.04 3.95 4.04 2enhA17 SER 36 HB3 -0.00 0.04 0.07 -0.04 3.93 3.99 2enhA17 GLY 37 H 0.01 0.15 0.17 -0.55 8.43 8.21 2enhA17 GLY 37 HA2 0.01 0.12 0.45 -0.51 4.01 4.07 2enhA17 GLY 37 HA3 0.01 -0.02 0.36 -0.51 4.01 3.84 2enhA17 GLU 38 H 0.00 0.11 0.08 -0.55 8.60 8.25 2enhA17 GLU 38 HA 0.00 0.21 0.55 -0.75 4.29 4.30 2enhA17 GLU 38 HB2 0.00 0.01 0.18 -0.04 2.09 2.24 2enhA17 GLU 38 HB3 0.00 0.01 0.10 -0.04 1.99 2.06 2enhA17 GLU 38 HG2 0.00 0.02 -0.02 -0.04 2.34 2.30 2enhA17 GLU 38 HG3 0.00 -0.00 0.07 -0.04 2.34 2.37 2enhA17 LYS 39 H 0.00 0.34 -0.85 -0.55 8.42 7.35 2enhA17 LYS 39 HA 0.00 0.15 0.82 -0.75 4.32 4.53 2enhA17 LYS 39 HB2 -0.00 -0.08 -0.04 -0.04 1.87 1.71 2enhA17 LYS 39 HB3 -0.00 0.07 -0.00 -0.04 1.79 1.82 2enhA17 LYS 39 HG2 -0.00 0.11 -0.00 -0.04 1.46 1.52 2enhA17 LYS 39 HG3 -0.00 -0.17 -0.10 -0.04 1.46 1.15 2enhA17 LYS 39 HD2 -0.00 -0.07 0.05 -0.04 1.69 1.64 2enhA17 LYS 39 HD3 -0.00 0.02 0.05 -0.04 1.68 1.71 2enhA17 LYS 39 HE2 -0.00 -0.02 0.00 -0.04 2.99 2.93 2enhA17 LYS 39 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.94 2enhA17 PRO 40 HA -0.00 0.10 0.39 -0.51 4.44 4.42 2enhA17 PRO 40 HB2 -0.00 0.01 -0.02 -0.04 2.28 2.23 2enhA17 PRO 40 HB3 -0.00 0.03 0.08 -0.04 2.02 2.09 2enhA17 PRO 40 HG2 -0.00 -0.06 0.14 -0.04 2.03 2.07 2enhA17 PRO 40 HG3 -0.00 0.05 0.10 -0.04 2.03 2.13 2enhA17 PRO 40 HD2 -0.00 0.07 0.24 -0.04 3.68 3.95 2enhA17 PRO 40 HD3 -0.00 0.22 0.22 -0.04 3.65 4.05 2enhA17 SER 41 H -0.00 0.06 -0.02 -0.55 8.46 7.95 2enhA17 SER 41 HA -0.00 0.07 0.55 -0.75 4.49 4.36 2enhA17 SER 41 HB2 -0.00 0.03 0.00 -0.04 3.95 3.93 2enhA17 SER 41 HB3 -0.00 -0.02 0.07 -0.04 3.93 3.94 2enhA17 GLY 42 H -0.00 0.20 0.22 -0.55 8.43 8.29 2enhA17 GLY 42 HA2 -0.01 0.08 0.42 -0.51 4.01 3.99 2enhA17 GLY 42 HA3 -0.01 0.14 0.22 -0.51 4.01 3.85 2enhA17 PRO 43 HA -0.01 0.04 0.41 -0.51 4.44 4.37 2enhA17 PRO 43 HB2 -0.01 0.04 0.14 -0.04 2.28 2.41 2enhA17 PRO 43 HB3 -0.01 0.00 0.09 -0.04 2.02 2.06 2enhA17 PRO 43 HG2 -0.01 0.05 0.12 -0.04 2.03 2.14 2enhA17 PRO 43 HG3 -0.02 0.06 0.07 -0.04 2.03 2.10 2enhA17 PRO 43 HD2 -0.01 0.16 0.14 -0.04 3.68 3.93 2enhA17 PRO 43 HD3 -0.01 0.12 0.15 -0.04 3.65 3.86 2enhA17 SER 44 H -0.01 0.33 0.29 -0.55 8.46 8.53 2enhA17 SER 44 HA -0.00 0.07 0.44 -0.75 4.49 4.24 2enhA17 SER 44 HB2 -0.00 0.06 0.13 -0.04 3.95 4.09 2enhA17 SER 44 HB3 -0.00 -0.03 0.25 -0.04 3.93 4.11 2enhA17 SER 45 H -0.00 0.42 0.15 -0.55 8.46 8.48 2enhA17 SER 45 HA -0.00 -0.04 0.46 -0.75 4.49 4.16 2enhA17 SER 45 HB2 -0.00 0.12 -0.38 -0.04 3.95 3.65 2enhA17 SER 45 HB3 -0.01 0.01 -0.03 -0.04 3.93 3.86 2enhA17 GLY 46 H -0.00 0.10 0.02 -0.55 8.43 8.00 2enhA17 GLY 46 HA2 -0.00 0.07 0.17 -0.51 4.01 3.74 2enhA17 GLY 46 HA3 -0.00 0.19 0.39 -0.51 4.01 4.08